2-[4-[4-(5-fluoranyl-1H-indol-3-yl)piperidin-1-yl]butyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[4-[4-(5-fluoranyl-1H-indol-3-yl)piperidin-1-yl]butyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[4-[4-(5-fluoro-1H-indol-3-yl)-1-piperidyl]butyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[4-[4-(5-fluoro-1H-indol-3-yl)-1-piperidinyl]butyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidino]butyl]-3,4-dihydroisocarbostyril Formula: C26H30FN3O MolecularWeight: 419.534303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CNC3=C2C=C(C=C3)F)CCCCN4CCC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCC1C2=CNC3=C2C=C(C=C3)F)CCCCN4CCC5=CC=CC=C5C4=O

InChI

InChI=1S/C26H30FN3O/c27-21-7-8-25-23(17-21)24(18-28-25)20-9-14-29(15-10-20)12-3-4-13-30-16-11-19-5-1-2-6-22(19)26(30)31/h1-2,5-8,17-18,20,28H,3-4,9-16H2